N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine

C14H19F2N3O — CID 177027227

IUPACN-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=N[C@H](c2cc(F)cc(F)c2)CC1.ONC1CCC1
InChIInChI=1S/C10H10F2N2.C4H9NO/c11-7-3-6(4-8(12)5-7)9-1-2-10(13)14-9;6-5-4-2-1-3-4/h3-5,9H,1-2H2,(H2,13,14);4-6H,1-3H2/t9-;/m0./s1
InChIKeyMWYKYDDGSJSHKU-FVGYRXGTSA-N
MW283.32 g/mol
LogP2.67
Rot. Bonds2

About N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine

N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 177027227) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID177027227
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC NameN-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=N[C@H](c2cc(F)cc(F)c2)CC1.ONC1CCC1
InChIInChI=1S/C10H10F2N2.C4H9NO/c11-7-3-6(4-8(12)5-7)9-1-2-10(13)14-9;6-5-4-2-1-3-4/h3-5,9H,1-2H2,(H2,13,14);4-6H,1-3H2/t9-;/m0./s1
InChIKeyMWYKYDDGSJSHKU-FVGYRXGTSA-N
XLogP2.67
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 177027227) is N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine is NC1=N[C@H](c2cc(F)cc(F)c2)CC1.ONC1CCC1.
What is the InChIKey of N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is MWYKYDDGSJSHKU-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H10F2N2.C4H9NO/c11-7-3-6(4-8(12)5-7)9-1-2-10(13)14-9;6-5-4-2-1-3-4/h3-5,9H,1-2H2,(H2,13,14);4-6H,1-3H2/t9-;/m0./s1.
What are the key properties of N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 283.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 177027227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).